CID 3069442

3,4-piperidinediol, 6-phenyl-1,3,4-trimethyl-, (3-alpha,4-alpha,6-alpha)-

Structural Information

Molecular Formula
C14H21NO2
SMILES
C[C@]1(C[C@@H](N(C[C@]1(C)O)C)C2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO2/c1-13(16)9-12(11-7-5-4-6-8-11)15(3)10-14(13,2)17/h4-8,12,16-17H,9-10H2,1-3H3/t12-,13-,14+/m1/s1
InChIKey
ZHQCINFMVJHYIV-MCIONIFRSA-N
Compound name
(3S,4R,6R)-1,3,4-trimethyl-6-phenylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 154.5
[M+Na]+ 258.146448 162.0
[M-H]- 234.149954 157.5
[M+NH4]+ 253.191053 174.0
[M+K]+ 274.120388 158.7
[M+H-H2O]+ 218.154490 148.6
[M+HCOO]- 280.155431 170.8
[M+CH3COO]- 294.171081 187.4
[M+Na-2H]- 256.131896 159.0
[M]+ 235.15668142 151.1
[M]- 235.15777858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.